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CHEBI:171883 - Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside]

ChEBI IDCHEBI:171883
ChEBI NameIsofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H90O7
Net Charge0
Average Mass839.296
Monoisotopic Mass838.66866
SMILESC/C=C(\CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC(=O)CCCCCCC/C=C/CCCCCCCC)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C53H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h9,16-17,27,37-38,41-46,48-51,55-57H,8,10-15,18-26,28-36H2,1-7H3/b17-16+,39-9+
InChIKeyYEAUSGDLYXRRSE-LMNLQXKHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside] (CHEBI:171883) has parent hydride stigmastane (CHEBI:26773)
Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside] (CHEBI:171883) is a steroid (CHEBI:35341)
IUPAC Name 
[6-[[10,13-dimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-octadec-9-enoate
Manual XrefsDatabases
HMDB0032813HMDB